REMARK Name = BDB063497 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.359 0.926 -1.238 0.00 0.00 +0.131 A ATOM 2 C LIG 1 4.147 2.036 -2.072 0.00 0.00 +0.052 A ATOM 3 C LIG 1 5.160 2.999 -2.154 0.00 0.00 +0.053 A ATOM 4 C LIG 1 5.016 4.144 -3.068 0.00 0.00 +0.273 A ATOM 5 N LIG 1 3.861 4.187 -3.800 0.00 0.00 -0.242 N ATOM 6 H LIG 1 3.740 4.973 -4.433 0.00 0.00 +0.192 HD ATOM 7 N LIG 1 2.825 3.322 -3.701 0.00 0.00 -0.175 NA ATOM 8 O LIG 1 5.889 4.998 -3.172 0.00 0.00 -0.266 OA ATOM 9 C LIG 1 6.332 2.899 -1.388 0.00 0.00 +0.014 A ATOM 10 C LIG 1 6.500 1.829 -0.519 0.00 0.00 +0.004 A ATOM 11 C LIG 1 2.925 2.307 -2.891 0.00 0.00 +0.077 A ATOM 12 C LIG 1 5.514 0.851 -0.442 0.00 0.00 +0.046 A ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 3.437 -0.080 -1.112 0.00 0.00 -0.485 OA BRANCH 13 14 ATOM 14 C LIG 1 3.885 -1.323 -1.680 0.00 0.00 +0.284 C BRANCH 14 20 ATOM 15 C LIG 1 2.146 -2.198 0.743 0.00 0.00 +0.152 C ATOM 16 N LIG 1 3.521 -2.582 0.516 0.00 0.00 -0.309 N ATOM 17 C LIG 1 4.298 -3.387 1.308 0.00 0.00 +0.291 A ATOM 18 N LIG 1 5.475 -3.635 0.768 0.00 0.00 -0.215 NA ATOM 19 C LIG 1 5.479 -2.928 -0.403 0.00 0.00 +0.139 A ATOM 20 C LIG 1 4.295 -2.237 -0.579 0.00 0.00 +0.077 A BRANCH 17 21 ATOM 21 N LIG 1 3.898 -3.896 2.590 0.00 0.00 +0.093 N ATOM 22 O LIG 1 4.349 -4.998 2.930 0.00 0.00 -0.123 OA ATOM 23 O LIG 1 3.130 -3.193 3.263 0.00 0.00 -0.123 OA ENDBRANCH 17 21 ENDBRANCH 14 20 ENDBRANCH 13 14 ENDBRANCH 1 13 BRANCH 11 24 ATOM 24 C LIG 1 1.685 1.428 -2.802 0.00 0.00 +0.093 C BRANCH 24 25 ATOM 25 C LIG 1 0.859 1.613 -1.547 0.00 0.00 -0.041 A ATOM 26 C LIG 1 0.090 0.538 -1.073 0.00 0.00 +0.020 A ATOM 27 C LIG 1 -0.709 0.681 0.070 0.00 0.00 +0.072 A ATOM 28 C LIG 1 -0.725 1.890 0.756 0.00 0.00 +0.135 A ATOM 29 F LIG 1 -1.435 2.037 1.883 0.00 0.00 -0.205 F ATOM 30 C LIG 1 0.004 2.976 0.280 0.00 0.00 +0.039 A ATOM 31 C LIG 1 0.780 2.843 -0.875 0.00 0.00 +0.007 A BRANCH 27 32 ATOM 32 C LIG 1 -1.455 -0.493 0.557 0.00 0.00 +0.249 C ATOM 33 N LIG 1 -2.827 -0.406 0.758 0.00 0.00 -0.294 N ATOM 34 C LIG 1 -3.518 -1.570 1.319 0.00 0.00 +0.127 C ATOM 35 C LIG 1 -4.846 -1.207 1.994 0.00 0.00 +0.127 C ATOM 36 N LIG 1 -5.735 -0.429 1.124 0.00 0.00 -0.298 N ATOM 37 C LIG 1 -7.097 -0.284 1.332 0.00 0.00 +0.219 C ATOM 38 O LIG 1 -7.829 0.364 0.593 0.00 0.00 -0.275 OA ATOM 39 C LIG 1 -5.115 0.265 -0.006 0.00 0.00 +0.127 C ATOM 40 C LIG 1 -3.676 0.704 0.296 0.00 0.00 +0.127 C ATOM 41 O LIG 1 -0.815 -1.529 0.734 0.00 0.00 -0.270 OA BRANCH 37 42 ATOM 42 C LIG 1 -7.671 -0.954 2.534 0.00 0.00 +0.075 C ATOM 43 C LIG 1 -9.139 -1.320 2.575 0.00 0.00 +0.013 C ATOM 44 C LIG 1 -8.107 -2.400 2.458 0.00 0.00 +0.013 C ENDBRANCH 37 42 ENDBRANCH 27 32 ENDBRANCH 24 25 ENDBRANCH 11 24 TORSDOF 8